6-Hydroxykaempferol 3-Rutinoside -6-glucoside
HIT212665206
sdf文件结构编辑类似物检索
HIT ID: HIT212665206
Cas No: 145134-63-0
分子式: C33H40O21
分子量: 772.662
常用名: 6-Hydroxykaempferol 3-Rutinoside -6-glucoside
常用名: 6-Hydroxykaempferol 3-Rutinoside -6-glucoside
氢键受体数 (HBA): 21
氢键供体数 (HBD): 13
LogP: -3.1368291
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)c4c3=O)-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI key: NEXCWFVNYYIZCR-PUWRHKPVSA-N
共显示3个结果
供应商规格单价货期纯度操作
TargetMol
SC
5510 购物车
Mcule
SC
89334-5周 购物车
Mcule
SC
58174-5周 购物车
TargetMol | Target Loading
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